N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide

C19H20N2O4 — CID 16826908

IUPACN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
SMILESCCN1CCOc2ccc(NC(=O)COc3ccccc3)cc2C1=O
InChIInChI=1S/C19H20N2O4/c1-2-21-10-11-24-17-9-8-14(12-16(17)19(21)23)20-18(22)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyCTVJLABYLOVBJZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.56
Rot. Bonds5

About N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide

N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide (PubChem CID 16826908) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
PubChem CID16826908
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
SMILESCCN1CCOc2ccc(NC(=O)COc3ccccc3)cc2C1=O
InChIInChI=1S/C19H20N2O4/c1-2-21-10-11-24-17-9-8-14(12-16(17)19(21)23)20-18(22)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyCTVJLABYLOVBJZ-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
CID 16826909
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
CID 16826905
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
CID 110639900
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-3,4-difluorobenzamide
CID 40958043
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
CID 18571570
N-[4-[(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)sulfamoyl]-3-methylphenyl]propanamide
CID 40889500
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
CID 110715051
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide (CID 16826908) is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide is CCN1CCOc2ccc(NC(=O)COc3ccccc3)cc2C1=O.
What is the InChIKey of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide?
The InChIKey is CTVJLABYLOVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-21-10-11-24-17-9-8-14(12-16(17)19(21)23)20-18(22)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide?
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide has a molecular weight of 340.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide is sourced from PubChem (CID 16826908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).